1-(2-ethyl-3-fluorophenyl)-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbothioamide

C14H15FN2O2S — CID 175209540

IUPAC1-(2-ethyl-3-fluorophenyl)-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbothioamide
SMILESCCc1c(F)cccc1N1CCC(O)=C(C(N)=S)C1=O
InChIInChI=1S/C14H15FN2O2S/c1-2-8-9(15)4-3-5-10(8)17-7-6-11(18)12(13(16)20)14(17)19/h3-5,18H,2,6-7H2,1H3,(H2,16,20)
InChIKeyGKDQCTWCNKZETL-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.22
Rot. Bonds3

About 1-(2-ethyl-3-fluorophenyl)-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbothioamide

1-(2-ethyl-3-fluorophenyl)-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbothioamide (PubChem CID 175209540) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-(2-ethyl-3-fluorophenyl)-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbothioamide.

Molecular Properties

Compound Name1-(2-ethyl-3-fluorophenyl)-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbothioamide
PubChem CID175209540
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Name1-(2-ethyl-3-fluorophenyl)-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbothioamide
SMILESCCc1c(F)cccc1N1CCC(O)=C(C(N)=S)C1=O
InChIInChI=1S/C14H15FN2O2S/c1-2-8-9(15)4-3-5-10(8)17-7-6-11(18)12(13(16)20)14(17)19/h3-5,18H,2,6-7H2,1H3,(H2,16,20)
InChIKeyGKDQCTWCNKZETL-UHFFFAOYSA-N
XLogP2.22
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-(4-Methyl-2-oxo-2H-quinolin-1-yl)-propionic acid
CID 666041
3-(7-Fluoro-2-oxo-1(2H)-quinolinyl)propanoic acid
CID 68553791
3-(5-Fluoro-2-oxo-1(2H)-quinolinyl)propanoic acid
CID 68556203
N-(2-fluoro-6-methylphenyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 103925119
3-(7-Fluoro-2-oxoquinolin-1-yl)propanamide
CID 118936294
6-Fluoro-1-methyl-2-oxoquinoline-3-carboxamide
CID 123472678
5-[1-(3-fluoroanilino)ethenyl]-4-hydroxy-2,3-dihydro-1H-pyridin-6-one
CID 134177563
N-(4-fluorophenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide
CID 137046323
N-(3-fluorophenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide
CID 137046329
N-(3,4-difluorophenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide
CID 137046330
Tert-butyl 5-[[2-(2,2-difluoroethyl)-3-fluorophenyl]carbamothioyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-1-carboxylate
CID 142566459
N-(3-Fluoro-2-methylphenyl)-1,2,5,6-tetrahydro-4-hydroxy-2-oxo-3-pyridinecarbothioamide
CID 142566462

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-3-fluorophenyl)-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbothioamide?
The IUPAC name of 1-(2-ethyl-3-fluorophenyl)-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbothioamide (CID 175209540) is 1-(2-ethyl-3-fluorophenyl)-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbothioamide.
What is the SMILES notation for 1-(2-ethyl-3-fluorophenyl)-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbothioamide?
The canonical SMILES for 1-(2-ethyl-3-fluorophenyl)-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbothioamide is CCc1c(F)cccc1N1CCC(O)=C(C(N)=S)C1=O.
What is the InChIKey of 1-(2-ethyl-3-fluorophenyl)-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbothioamide?
The InChIKey is GKDQCTWCNKZETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-2-8-9(15)4-3-5-10(8)17-7-6-11(18)12(13(16)20)14(17)19/h3-5,18H,2,6-7H2,1H3,(H2,16,20).
What are the key properties of 1-(2-ethyl-3-fluorophenyl)-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbothioamide?
1-(2-ethyl-3-fluorophenyl)-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbothioamide has a molecular weight of 294.35 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-3-fluorophenyl)-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbothioamide is sourced from PubChem (CID 175209540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).